8008-3804 Screening compound: 3-[(E)-[(4-methylphenyl)methylidene]amino]benzonitrile

8008-3804 Screening compound: 3-[(E)-[(4-methylphenyl)methylidene]amino]benzonitrile
8008-3804 Screening compound: 3-[(E)-[(4-methylphenyl)methylidene]amino]benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-3804
3-[(E)-[(4-methylphenyl)methylidene]amino]benzonitrile

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

8008-3804

Molecular Formula

C15H12N2 (C15 H12 N2)

Compound Name

3-[(E)-[(4-methylphenyl)methylidene]amino]benzonitrile

IUPAC name

3-[(E)-[(4-methylphenyl)methylidene]amino]benzonitrile

SMILES

Cc1ccc(/C=N/c2cccc(C#N)c2)cc1

InChI

InChI=1S/C15H12N2/c1-12-5-7-13(8-6-12)11-17-15-4-2-3-14(9-15)10-16/h2-9,11H,1H3

InChI Key

PQYLEAQWADLXST-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01042545

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

220.27

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

3.283

Distribution Coefficient, logD

3.279

Water Solubility, LogSw

-3.26

Polar Surface Area

25.422

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

5.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.70

8008-3804 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Agro:
  • Agro
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 8008-3804 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-3804?
Check Price and Availability of 8008-3804, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 8008-3804 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-3804
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-3804
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of 8008-3804 available by request